3-Amino-2-(4-chlorophenyl)quinazolin-4(3H)-one

Base Information

• Chemical Name: 3-Amino-2-(4-chlorophenyl)quinazolin-4(3H)-one
• CAS No.: 63002-70-0
• Molecular Formula: C14H10ClN3O
• Molecular Weight: 271.70200
• DSSTox Substance ID: DTXSID50358866
• Wikidata: Q82139755
• ChEMBL ID: CHEMBL1164655
• Mol file: 63002-70-0.mol

Synonyms:3-Amino-2-(4-chlorophenyl)quinazolin-4(3H)-one;63002-70-0;3-amino-2-(4-chlorophenyl)quinazolin-4-one;CHEMBL1164655;Oprea1_302455;DTXSID50358866;BDBM50321117;MFCD00643426;STL361483;AKOS000299458;BB 0244841;CS-0326792;3-amino-2-(4-chlorophenyl)-4(3H)-quinazolinone;AO-476/40135796;3-Amino-2-(4-chloro-phenyl)-3H-quinazolin-4 -one;3-amino-2-(4-chlorophenyl)-3,4-dihydroquinazolin-4-one

Chemical Property of 3-Amino-2-(4-chlorophenyl)quinazolin-4(3H)-one

Chemical Property:

• PSA: 60.91000
• LogP: 3.01190
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 271.0512396
• Heavy Atom Count: 19
• Complexity: 390

Purity/Quality:

99% ^*data from raw suppliers

3-Amino-2-(4-chlorophenyl)quinazolin-4(3H)-one 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=O)N(C(=N2)C3=CC=C(C=C3)Cl)N

Technology Process of 3-Amino-2-(4-chlorophenyl)quinazolin-4(3H)-one

There total 6 articles about 3-Amino-2-(4-chlorophenyl)quinazolin-4(3H)-one which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 90.0%

2-(4-chlorophenyl)-4H-benzo[d][1,3]oxazin-4-one (18600-52-7) → 2-(4-chlorophenyl)-3-aminoquinazolin-4(3H)-one (63002-70-0)

Guidance literature:

With hydrazine hydrate; In ethanol; Reflux;

DOI:10.1016/j.bmc.2010.04.083

Reference yield: 62.0%

4-chloro-N-(2-hydrazinocarbonyl-phenyl)benzamide (104830-73-1) → 2-(4-chlorophenyl)-3-aminoquinazolin-4(3H)-one (63002-70-0)

Guidance literature:

In pyridine; for 2h; Heating;

Reference yield:

anthranilic acid (118-92-3,159201-01-1,50816-84-7,80206-34-4,104809-47-4) → 2-(4-chlorophenyl)-3-aminoquinazolin-4(3H)-one (63002-70-0)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine / 1 h / 0 - 20 °C

2: hydrazine hydrate / ethanol / 4 h / Reflux

With pyridine; hydrazine hydrate; In ethanol;

DOI:10.21608/EJCHEM.2020.28992.2624

upstream raw materials:

2-(4-chlorophenyl)-4H-benzo[d][1,3]oxazin-4-one

4-chloro-N-(2-hydrazinocarbonyl-phenyl)benzamide

2-(4-chlorophenyl)-2,3-dihydrobenzo[e][1,3]oxazin-4-one

anthranilic acid

Downstream raw materials:

2-(4-chlorophenyl)-4(3H)-quinazolinone

C₁₆H₁₁Cl₂N₃O₂

C₂₃H₁₅ClN₆O₃S

C₂₄H₁₆ClN₅O₃S

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